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Inner relaxations in equiatomic single-phase high-entropy Cantoralloy

  • The superior properties of high-entropy multi-functional materials are strongly connected with their atomic heterogeneity through many different local atomic interactions. The detailed element-specific studies on a local scale can provide insight into the primary arrangements of atoms in multicomponent systems and benefit to unravel the role of individual components in certain macroscopic properties of complex compounds. Herein, multi-edge X-ray absorption spectroscopy combined with reverse Monte Carlo simulations was used to explore a homogeneity of the local crystallographic ordering and specific structure relaxations of each constituent in the equiatomic single-phase facecentered cubic CrMnFeCoNi high-entropy alloy at room temperature. Within the considered fitting approach, all five elements of the alloy were found to be distributed at the nodes of the fcc lattice without any signatures of the additional phases at the atomic scale and exhibit very close statistically averagedThe superior properties of high-entropy multi-functional materials are strongly connected with their atomic heterogeneity through many different local atomic interactions. The detailed element-specific studies on a local scale can provide insight into the primary arrangements of atoms in multicomponent systems and benefit to unravel the role of individual components in certain macroscopic properties of complex compounds. Herein, multi-edge X-ray absorption spectroscopy combined with reverse Monte Carlo simulations was used to explore a homogeneity of the local crystallographic ordering and specific structure relaxations of each constituent in the equiatomic single-phase facecentered cubic CrMnFeCoNi high-entropy alloy at room temperature. Within the considered fitting approach, all five elements of the alloy were found to be distributed at the nodes of the fcc lattice without any signatures of the additional phases at the atomic scale and exhibit very close statistically averaged interatomic distances (2.54 – 2.55 Å) with their nearest-neighbors. Enlarged structural displacements were found solely for Cr atoms. The macroscopic magnetic properties probed by conventional magnetometry demonstrate no opening of the hysteresis loops at 5 K and illustrate a complex character of the long-range magnetic order after field-assisted cooling in ± 5 T. The observed magnetic behavior is assigned to effects related to structural relaxations of Cr. Besides, the advantages and limitations of the reverse Monte Carlo approach to studies of multicomponent systems like high-entropy alloys are highlighted.zeige mehrzeige weniger

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Metadaten
Autor*innen:A. Smekhova, A. Kuzmin, K. Siemensmeyer, R. Abrudan, Uwe Reinholz, Ana de Oliveira Guilherme BuzanichORCiD, M. Schneider, G. Laplanche, Kirill YusenkoORCiD
Dokumenttyp:Zeitschriftenartikel
Veröffentlichungsform:Eigenverlag BAM
Sprache:Englisch
Titel des übergeordneten Werkes (Englisch):Journal of Alloys and Compounds
Jahr der Erstveröffentlichung:2022
Organisationseinheit der BAM:6 Materialchemie
6 Materialchemie / 6.3 Strukturanalytik
Verlag:Elsevier
Jahrgang/Band:920
Aufsatznummer:165999
Erste Seite:1
Letzte Seite:31
DDC-Klassifikation:Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Ingenieurwissenschaften und zugeordnete Tätigkeiten
Freie Schlagwörter:Element-specific spectroscopy; Extended X-ray absorption fine structure (EXAFS); High-entropy alloys; Magnetism; Reverse Monte Carlo (RMC); X-ray absorption near edge structure (XANES)
Themenfelder/Aktivitätsfelder der BAM:Material
DOI:10.1016/j.jallcom.2022.165999
ISSN:0925-8388
Verfügbarkeit des Dokuments:Datei im Netzwerk der BAM verfügbar ("Closed Access")
Datum der Freischaltung:10.08.2022
Referierte Publikation:Ja
Datum der Eintragung als referierte Publikation:10.08.2022
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